SCHEMBL2940920

SCHEMBL2940920

COCCCSc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SLC2A1 P11166 1/20 0.38
DHFR P00374 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
CA2 P00918 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11876367 0.88 MAPK1 (0.42) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL12110773 0.83 CYP3A4 (0.50) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL12110770 0.83 MAPK1 (0.50) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL12110639 0.81 MAPK1 (0.48) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL12110709 0.81 MAPK1 (0.48) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL12110642 0.81 MAPK1 (0.48) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL21993463 0.80 KDM4E (0.50) KDM4EALDH1A1PKMGAAHTT
SCHEMBL422539 0.79 MAOA (0.58) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL642392 0.79 ALDH1A1 (0.58) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL1808815 0.78 CYP3A4 (0.55) KDM4EALDH1A1MEN1KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
CN-1768054-A Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA SA (FR) 2006-05-03 CN disclosed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 US disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 KDM4E 3577/4885ALDH1A1 3685/4885PKM 1503/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 KDM4E 1619/4885ALDH1A1 3413/4885PKM 166/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KDM4E 1464/4885ALDH1A1 2827/4885PKM 269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.